1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine

C21H16N4S — CID 88528366

IUPAC1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine
SMILESS=c1[nH]cc[nH]1.c1cncc(-c2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C18H12N2.C3H4N2S/c1-3-9-16-14(7-1)18(13-6-5-11-19-12-13)15-8-2-4-10-17(15)20-16;6-3-4-1-2-5-3/h1-12H;1-2H,(H2,4,5,6)
InChIKeyXQKVXCWXUDNOIO-UHFFFAOYSA-N
MW356.45 g/mol
LogP5.52
Rot. Bonds1

About 1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine

1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine (PubChem CID 88528366) has the molecular formula C21H16N4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine.

Molecular Properties

Compound Name1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine
PubChem CID88528366
Molecular FormulaC21H16N4S
Molecular Weight356.45 g/mol
Exact Mass356.11
IUPAC Name1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine
SMILESS=c1[nH]cc[nH]1.c1cncc(-c2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C18H12N2.C3H4N2S/c1-3-9-16-14(7-1)18(13-6-5-11-19-12-13)15-8-2-4-10-17(15)20-16;6-3-4-1-2-5-3/h1-12H;1-2H,(H2,4,5,6)
InChIKeyXQKVXCWXUDNOIO-UHFFFAOYSA-N
XLogP5.52
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,3-dihydroimidazole-2-thione;9-phenylacridine
CID 88528417
9-pyridin-3-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 69242237
2-phenyl-3-[4-(10-pyridin-3-ylanthracen-9-yl)naphthalen-1-yl]quinoxaline
CID 164771476
2-phenyl-4-pyridin-3-ylquinoline
CID 175326570
2-phenyl-3-[6-(10-pyridin-3-ylanthracen-9-yl)naphthalen-2-yl]quinoxaline
CID 164771483
3-phenyl-4-pyridin-3-ylisoquinoline
CID 11832880
2-pyridin-3-yl-4-pyridin-3-yloxyquinazoline
CID 4793706
2-[2,5-dimethyl-4-(10-pyridin-3-ylanthracen-9-yl)phenyl]-3-phenylquinoxaline
CID 164771460
10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione
CID 14690224
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933
3-(2,6-dibromophenyl)pyridine
CID 76539776

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine?
The IUPAC name of 1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine (CID 88528366) is 1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine.
What is the SMILES notation for 1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine?
The canonical SMILES for 1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine is S=c1[nH]cc[nH]1.c1cncc(-c2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of 1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine?
The InChIKey is XQKVXCWXUDNOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2.C3H4N2S/c1-3-9-16-14(7-1)18(13-6-5-11-19-12-13)15-8-2-4-10-17(15)20-16;6-3-4-1-2-5-3/h1-12H;1-2H,(H2,4,5,6).
What are the key properties of 1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine?
1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine has a molecular weight of 356.45 g/mol, XLogP of 5.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine is sourced from PubChem (CID 88528366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).